I want to compare my experimental resolve phases (before final refinement) to my model(PDB) phases.
I have tried to compare the model phases vs. experimental phases using: Sfall (to ensure I have the appropriate PHI columns) -> Cad (for merging mtz files) -> Phase comparison (Clipper utilities). My space group is P42 My experimental resolve map looks great, approx 70% traced. The model has been refined to a R-factor of 24%(Rfree 28%). So I would think the delta-phase (phase error) would be small between the experimental structure and model. I am finding a 90 degree phase error using the above Sfall -> Cad -> Phase Comparison approach. I must be doing something wrong. Any help would be greatly appreciated. Thanks James
